LINES: Log-Probability Estimation via Invertible Neural Networks for Enhanced Sampling
Author:
Affiliation:
1. School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00254
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1. Computations of Standard Binding Free Energies with Molecular Dynamics Simulations
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5. Estimation of Drug-Target Residence Times by τ-Random Acceleration Molecular Dynamics Simulations
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